![Methyl 4-{2-[(3-nitrophenyl)carbonyl]hydrazinyl}-4-oxobutanoate structure](/static/products/304/304456-79-9.png)
Methyl 4-{2-[(3-nitrophenyl)carbonyl]hydrazinyl}-4-oxobutanoate
TL;DR: Methyl 4-{2-[(3-nitrophenyl)carbonyl]hydrazinyl}-4-oxobutanoate (CAS 304456-79-9) is a chemical compound with molecular formula C12H13N3O6 and molecular weight 295.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[2-(3-nitrobenzoyl)hydrazinyl]-4-oxobutanoate
Also Known As: BAS 00339998, methyl 4-[2-(3-nitrobenzoyl)hydrazino]-4-oxobutanoate, methyl 4-[2-(3-nitrobenzoyl)hydrazinyl]-4-oxobutanoate, METHYL 4-[(3-NITROPHENYL)FORMOHYDRAZIDO]-4-OXOBUTANOATE, 4-[N'-(3-Nitro-benzoyl)-hydrazino]-4-oxo-butyric acid methyl ester
| Molecular Formula | C12H13N3O6 |
|---|---|
| Molecular Weight | 295.08 g/mol |
| LogP | 0.309 |
| Topological Polar Surface Area | 127.64 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 295.08044 |
| Heavy Atoms | 21 |
| Complexity | 571.86615 |
Chemical Identifiers
| CAS Number | 304456-79-9 |
|---|---|
| SMILES | COC(=O)CCC(=O)NNC(=O)C1=CC(=CC=C1)[N+](=O)[O-] |
Product Overview
Methyl 4-{2-[(3-nitrophenyl)carbonyl]hydrazinyl}-4-oxobutanoate (CAS 304456-79-9), with molecular formula C12H13N3O6 and molecular weight 295.08 g/mol. IUPAC: methyl 4-[2-(3-nitrobenzoyl)hydrazinyl]-4-oxobutanoate.
Chemical Property Profile of Methyl 4-{2-[(3-nitrophenyl)carbonyl]hydrazinyl}-4-oxobutanoate
Property Insights of Methyl 4-{2-[(3-nitrophenyl)carbonyl]hydrazinyl}-4-oxobutanoate
The XLogP value of 0.309 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-{2-[(3-nitrophenyl)carbonyl]hydrazinyl}-4-oxobutanoate. The TPSA of 127.64 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-{2-[(3-nitrophenyl)carbonyl]hydrazinyl}-4-oxobutanoate. Following Lipinski's Rule of Five, Methyl 4-{2-[(3-nitrophenyl)carbonyl]hydrazinyl}-4-oxobutanoate has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl 4-{2-[(3-nitrophenyl)carbonyl]hydrazinyl}-4-oxobutanoate?
The CAS number of Methyl 4-{2-[(3-nitrophenyl)carbonyl]hydrazinyl}-4-oxobutanoate is 304456-79-9.
What is the molecular formula of Methyl 4-{2-[(3-nitrophenyl)carbonyl]hydrazinyl}-4-oxobutanoate?
The molecular formula of Methyl 4-{2-[(3-nitrophenyl)carbonyl]hydrazinyl}-4-oxobutanoate is C12H13N3O6.
What is the molecular weight of Methyl 4-{2-[(3-nitrophenyl)carbonyl]hydrazinyl}-4-oxobutanoate?
The molecular weight of Methyl 4-{2-[(3-nitrophenyl)carbonyl]hydrazinyl}-4-oxobutanoate is 295.08 g/mol.
Where can I buy Methyl 4-{2-[(3-nitrophenyl)carbonyl]hydrazinyl}-4-oxobutanoate?
You can request a quote for Methyl 4-{2-[(3-nitrophenyl)carbonyl]hydrazinyl}-4-oxobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-{2-[(3-nitrophenyl)carbonyl]hydrazinyl}-4-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-{2-[(3-nitrophenyl)carbonyl]hydrazinyl}-4-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.